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Chemical ID: 4943564

Chemical ID:

4943564

Name [?]:

3-ethyl-3-(4-pyridyl)piperidine-2,6-dione

SMILES [?]:

CCC1(CCC(=O)NC1=O)c2ccncc2

InChi [?]:

InChI=1/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,5,12,16,4,13,15,11,6,9,3,14,8,7,10/E:(4,5)(7,8)/rA:16cCCCCCCONCOCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s3s8;d9;s3;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄N₂O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	1

ZAP Information [?]

Total:	6.02062
Area:	373.743
Solvation:	-3.32295
Coulombic:	-32.3754

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	218.252
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	0.91
LogP (Chemaxon):	0.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value